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BDBM342841 2-{4-[2-(3-Hydroxy-pyrrolidin-1-yl)-acetyl]-piperazin-1-ylmethyl}-thiazole-5-carboxylic acid 2,4-dichloro-benzylamide::US9776991, Example 211

SMILES: OC1CCN(CC(=O)N2CCN(Cc3ncc(s3)C(=O)NCc3ccc(Cl)cc3Cl)CC2)C1

InChI Key: InChIKey=VGPDUYGWFWPBFB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 342841   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM342841
PNG
(2-{4-[2-(3-Hydroxy-pyrrolidin-1-yl)-acetyl]-pipera...)
Show SMILES OC1CCN(CC(=O)N2CCN(Cc3ncc(s3)C(=O)NCc3ccc(Cl)cc3Cl)CC2)C1
Show InChI InChI=1S/C22H27Cl2N5O3S/c23-16-2-1-15(18(24)9-16)10-26-22(32)19-11-25-20(33-19)13-27-5-7-29(8-6-27)21(31)14-28-4-3-17(30)12-28/h1-2,9,11,17,30H,3-8,10,12-14H2,(H,26,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 90.9n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Compounds were tested in a biochemical screening assay using recombinant sEH purified from Sf9 insect cells and an artificial substrate, (3-phenyl-ox...


US Patent US9776991 (2017)


BindingDB Entry DOI: 10.7270/Q2V126ZH
More data for this
Ligand-Target Pair